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Nom: (S)-2-{5-[2-(4-{2-[(S)-1-((R)-2-methoxycarbonylamino-2-phenyl-acetyl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-pyrimidin-5-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carboxylic acid tert-butyl ester

IUPAC: tert-butyl (2S)-2-[5-[2-[4-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

SMILES: COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ncc(-c4cnc([C@@H]5CCCN5C(=O)OC(C)(C)C)[nH]4)cn3)cc2)[nH]1)c1ccccc1

Canonical SMILES: CC(C)(C)OC(=O)N1CCCC1C2=NC=C(N2)C3=CN=C(N=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C7=CC=CC=C7)NC(=O)OC

Formule moléculaire: C39H43N9O5

Masse molaire: 717.80

InChIKey: KAXISJFBKPSOSJ-OWHBQTKESA-N

InChI: InChI=1S/C39H43N9O5/c1-39(2,3)53-38(51)48-19-9-13-31(48)35-43-23-29(45-35)27-20-40-33(41-21-27)26-16-14-24(15-17-26)28-22-42-34(44-28)30-12-8-18-47(30)36(49)32(46-37(50)52-4)25-10-6-5-7-11-25/h5-7,10-11,14-17,20-23,30-32H,8-9,12-13,18-19H2,1-4H3,(H,42,44)(H,43,45)(H,46,50)/t30-,31-,32+/m0/s1

PubChem CID: 24951126 →

Synonymes

SCHEMBL690281KAXISJFBKPSOSJ-OWHBQTKESA-N(S)-2-{5-[2-(4-{2-[(S)-1-((R)-2-methoxycarbonylamino-2-phenyl-acetyl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-phenyl)-pyrimidin-5-yl]-1H-imidazol-2-yl}-pyrrolidine-1-carboxylic acid tert-butyl ester

Impliqué dans 13 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→